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Computer generation of symmetry-adapted molecular orbitals

✍ Scribed by Piercarlo Fantucci; Gianfranco Pacchioni; Stefano Polezzo; Jaime Fernandez-Rico

Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
477 KB
Volume
5
Category
Article
ISSN
0097-8485

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## Title of version: SYMMET version 2 Nature of physical problem The group theory is used for the classification of the electron Catalogue number: ABRA states of molecules and the transformation of the matrix eigenvalue problem to a quasidiagonal form. If the p-basis on Program obtainable from: CP